Ethyl Salicylate

Synopsis, Chemistry

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Also known as: Ethyl 2-hydroxybenzoate, 118-61-6, Sal ethyl, Mesotol, Salotan, Salicylic ether

Molecular Formula

C₉H₁₀O₃

Molecular Weight

166.17 g/mol

InChI Key

GYCKQBWUSACYIF-UHFFFAOYSA-N

FDA UNII

555U6TZ2MV

ethyl salicylate is a natural product found in Castanopsis cuspidata, Geum heterocarpum, and other organisms with data available.

1 2D Structure

Ethyl Salicylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-hydroxybenzoate

2.1.2 InChI

InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3

2.1.3 InChI Key

GYCKQBWUSACYIF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC=CC=C1O

2.2 Other Identifiers

2.2.1 UNII

555U6TZ2MV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Salicylic Acid, Ethyl Ester

2.3.2 Depositor-Supplied Synonyms

1. Ethyl 2-hydroxybenzoate

2. 118-61-6

3. Sal Ethyl

4. Mesotol

5. Salotan

6. Salicylic Ether

7. Ethyl O-hydroxybenzoate

8. Salicylic Acid, Ethyl Ester

9. Benzoic Acid, 2-hydroxy-, Ethyl Ester

10. Salicylic Ethyl Ester

11. 2-hydroxybenzoic Acid Ethyl Ester

12. O-(ethoxycarbonyl)phenol

13. Sal Ether

14. Salicyclic Acid, Ethyl Ester

15. Fema No. 2458

16. Nsc 8209

17. Benzoic Acid, Hydroxy-, Ethyl Ester

18. 555u6tz2mv

19. Chebi:88839

20. Nsc-8209

21. Ncgc00181161-01

22. Ncgc00181161-02

23. Ncgc00181161-03

24. Dsstox_cid_1958

25. Dsstox_rid_76427

26. Dsstox_gsid_21958

27. Cas-118-61-6

28. Einecs 204-265-5

29. Mfcd00002215

30. Brn 0907659

31. Ethylsalicylate

32. Unii-555u6tz2mv

33. Salstan

34. Ai3-00513

35. Ethyl Salicyclate

36. Salicylic Acid Ethyl

37. Ethyl Salicylate, 99%

38. 2-hydroxyethylbenzoic Acid

39. Salicylic Acid Ethyl Ester

40. Wln: Qr Bvo2

41. Schembl39622

42. 2-ethoxycarbonylphenol

43. 4-10-00-00149 (beilstein Handbook Reference)

44. Ethyl Salicylate [mi]

45. Ethyl Salicylate [fcc]

46. Ethyl Salicylate [fhfi]

47. Chembl2251610

48. Dtxsid1021958

49. Fema 2458

50. Ethyl Salicylate [mart.]

51. Nsc8209

52. Ethyl Salicylate [who-dd]

53. Zinc157490

54. 2-hydroxy-benzoic Acid Ethyl Ester

55. Tox21_112764

56. Tox21_113454

57. Ethyl Salicylate, Analytical Standard

58. Stk397384

59. Akos000120529

60. Tox21_112764_1

61. Am10831

62. Db15576

63. Ds-6424

64. Ethyl Salicylate, >=99%, Fcc, Fg

65. 1321-50-2

66. Ft-0626236

67. S0011

68. D70269

69. Methyl Salicylate Impurity F [ep Impurity]

70. Q408120

71. Sr-01000944712

72. J-003857

73. Sr-01000944712-1

74. F0001-0297

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.17 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177 g/mol
Monoisotopic Mass	166.062994177 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1